Systematic trends in self-consistent calculations of linear quantum wires

Systematic trends in the properties of a linear split-gate heterojunction are studied by solving iteratively the Poisson and Schrödinger equations for different gate potentials and temperatures. A two-dimensional approximation is presented that is much simpler in the numerical implementation and that accurately reproduces all significant trends. In deriving this approximation, we provide a rigorous and quantitative basis for the formulation of models that assumes a two-dimensional character for the electron gas at the junction.

An Alternative Approach To Computer System Security Monitoring And Enhancement Through System Call Sequence Analysis

Modern computer systems are plagued with stability and security problems: applications lose data, web servers are hacked, and systems crash under heavy load. Many of these problems or anomalies arise from rare program behavior caused by attacks or errors. A substantial percentage of the web-based attacks are due to buffer overflows. Many methods have been devised to detect and prevent anomalous situations that arise from buffer overflows. The current state-of-art of anomaly detection systems is relatively primitive and mainly depend on static code checking to take care of buffer overflow attacks. For protection, Stack Guards and I-leap Guards are also used in wide varieties.This dissertation proposes an anomaly detection system, based on frequencies of system calls in the system call trace. System call traces represented as frequency sequences are profiled using sequence sets. A sequence set is identified by the starting sequence and frequencies of specific system calls. The deviations of the current input sequence from the corresponding normal profile in the frequency pattern of system calls is computed and expressed as an anomaly score. A simple Bayesian model is used for an accurate detection.Experimental results are reported which show that frequency of system calls represented using sequence sets, captures the normal behavior of programs under normal conditions of usage. This captured behavior allows the system to detect anomalies with a low rate of false positives. Data are presented which show that Bayesian Network on frequency variations responds effectively to induced buffer overflows. It can also help administrators to detect deviations in program flow introduced due to errors.

Density-functional calculations of magnetoplasmons in quantum rings

We have studied the structure and dipole charge-density response of nanorings as a function of the magnetic field using local-spin-density-functional theory. Two small rings consisting of 12 and 22 electrons confined by a positively charged background are used to represent the cases of narrow and wide rings. The results are qualitatively compared with experimental data existing on microrings and on antidots. A smaller ring containing five electrons is also analyzed to allow for a closer comparison with a recent experiment on a two-electron quantum ring.

Design and synthesis of efficient mac architectures for high speed decimal processor

Most of the commercial and financial data are stored in decimal fonn. Recently, support for decimal arithmetic has received increased attention due to the growing importance in financial analysis, banking, tax calculation, currency conversion, insurance, telephone billing and accounting. Performing decimal arithmetic with systems that do not support decimal computations may give a result with representation error, conversion error, and/or rounding error. In this world of precision, such errors are no more tolerable. The errors can be eliminated and better accuracy can be achieved if decimal computations are done using Decimal Floating Point (DFP) units. But the floating-point arithmetic units in today's general-purpose microprocessors are based on the binary number system, and the decimal computations are done using binary arithmetic. Only few common decimal numbers can be exactly represented in Binary Floating Point (BF P). ln many; cases, the law requires that results generated from financial calculations performed on a computer should exactly match with manual calculations. Currently many applications involving fractional decimal data perform decimal computations either in software or with a combination of software and hardware. The performance can be dramatically improved by complete hardware DFP units and this leads to the design of processors that include DF P hardware.VLSI implementations using same modular building blocks can decrease system design and manufacturing cost. A multiplexer realization is a natural choice from the viewpoint of cost and speed.This thesis focuses on the design and synthesis of efficient decimal MAC (Multiply ACeumulate) architecture for high speed decimal processors based on IEEE Standard for Floating-point Arithmetic (IEEE 754-2008). The research goal is to design and synthesize deeimal'MAC architectures to achieve higher performance.Efficient design methods and architectures are developed for a high performance DFP MAC unit as part of this research.

Computer vision techniques in seafood quality control

The application of computer vision based quality control has been slowly but steadily gaining importance mainly due to its speed in achieving results and also greatly due to its non- destnictive nature of testing. Besides, in food applications it also does not contribute to contamination. However, computer vision applications in quality control needs the application of an appropriate software for image analysis. Eventhough computer vision based quality control has several advantages, its application has limitations as to the type of work to be done, particularly so in the food industries. Selective applications, however, can be highly advantageous and very accurate.Computer vision based image analysis could be used in morphometric measurements of fish with the same accuracy as the existing conventional method. The method is non-destructive and non-contaminating thus providing anadvantage in seafood processing.The images could be stored in archives and retrieved at anytime to carry out morphometric studies for biologists.Computer vision and subsequent image analysis could be used in measurements of various food products to assess uniformity of size. One product namely cutlet and product ingredients namely coating materials such as bread crumbs and rava were selected for the study. Computer vision based image analysis was used in the measurements of length, width and area of cutlets. Also the width of coating materials like bread crumbs was measured.Computer imaging and subsequent image analysis can be very effectively used in quality evaluations of product ingredients in food processing. Measurement of width of coating materials could establish uniformity of particles or the lack of it. The application of image analysis in bacteriological work was also done

Helium in polygonal nanopores at zero temperature: Density functional theory calculations

We investigate adsorption of helium in nanoscopic polygonal pores at zero temperature using a finite-range density functional theory. The adsorption potential is computed by means of a technique denoted as the elementary source method. We analyze a rhombic pore with Cs walls, where we show the existence of multiple interfacial configurations at some linear densities, which correspond to metastable states. Shape transitions and hysterectic loops appear in patterns which are richer and more complex than in a cylindrical tube with the same transverse area.

Diffusive transport properties in monovalent and divalent metal-ion halide melts: A computer simulation study

Self- and cross-velocity correlation functions and related transport coefficients of molten salts are studied by molecular-dynamics simulation. Six representative systems are considered, i.e., NaCl and KCl alkali halides, CuCl and CuBr noble-metal halides, and SrCl2 and ZnCl2 divalent metal-ion halides. Computer simulation results are compared with experimental self-diffusion coefficients and electrical conductivities. Special attention is paid to dynamic cross correlations and their dependence on the Coulomb interactions as well as on the size and mass differences between anions and cations.

Management of Traffic Control — A Computer Oriented Approach

Traffic Management system (TMS) comprises four major sub systems: The Network Database Management system for information to the passengers, Transit Facility Management System for service, planning, and scheduling vehicle and crews, Congestion Management System for traffic forecasting and planning, Safety Management System concerned with safety aspects of passengers and Environment. This work has opened a rather wide frame work of model structures for application on traffic. The facets of these theories are so wide that it seems impossible to present all necessary models in this work. However it could be deduced from the study that the best Traffic Management System is that whichis realistic in all aspects is easy to understand is easy to apply As it is practically difficult to device an ideal fool—proof model, the attempt here has been to make some progress-in that direction.

Performance of correlation functionals in ab initio chemisorption cluster-model calculations: Alkali metals on Si(111)

The performance of different correlation functionals has been tested for alkali metals, Li to Cs, interacting with cluster models simulating different active sites of the Si(111) surface. In all cases, the ab initio Hartree-Fock density has been obtained and used as a starting point. The electronic correlation energy is then introduced as an a posteriori correction to the Hartree-Fock energy using different correlation functionals. By making use of the ionic nature of the interaction and of different dissociation limits we have been able to prove that all functionals tested introduce the right correlation energy, although to a different extent. Hence, correlation functionals appear as an effective and easy way to introduce electronic correlation in the ab initio Hartree-Fock description of the chemisorption bond in complex systems where conventional configuration interaction techniques cannot be used. However, the calculated energies may differ by some tens of eV. Therefore, these methods can be employed to get a qualitative idea of how important correlation effects are, but they have some limitations if accurate binding energies are to be obtained.

Magnetic structure of Li2CuO2: From ab initio calculations to macroscopic simulations

The magnetic structure of the edge-sharing cuprate compound Li2CuO2 has been investigated with highly correlated ab initio electronic structure calculations. The first- and second-neighbor in-chain magnetic interactions are calculated to be 142 and -22 K, respectively. The ratio between the two parameters is smaller than suggested previously in the literature. The interchain interactions are antiferromagnetic in nature and of the order of a few K only. Monte Carlo simulations using the ab initio parameters to define the spin model Hamiltonian result in a Nel temperature in good agreement with experiment. Spin population analysis situates the magnetic moment on the copper and oxygen ions between the completely localized picture derived from experiment and the more delocalized picture based on local-density calculations.

Effective t-J model Hamiltonian parameters of monolayered cuprate superconductors from ab initio electronic structure calculations

The magnetic coupling constant of selected cuprate superconductor parent compounds has been determined by means of embedded cluster model and periodic calculations carried out at the same level of theory. The agreement between both approaches validates the cluster model. This model is subsequently employed in state-of-the-art configuration interaction calculations aimed to obtain accurate values of the magnetic coupling constant and hopping integral for a series of superconducting cuprates. Likewise, a systematic study of the performance of different ab initio explicitly correlated wave function methods and of several density functional approaches is presented. The accurate determination of the parameters of the t-J Hamiltonian has several consequences. First, it suggests that the appearance of high-Tc superconductivity in existing monolayered cuprates occurs with J/t in the 0.20¿0.35 regime. Second, J/t=0.20 is predicted to be the threshold for the existence of superconductivity and, third, a simple and accurate relationship between the critical temperatures at optimum doping and these parameters is found. However, this quantitative electronic structure versus Tc relationship is only found when both J and t are obtained at the most accurate level of theory.

Coherent tunnelling in Cu2+- and Ag2+-doped MgO and CaO: Cu2+ explored through ab initio calculations

The observation of coherent tunnelling in Cu2+ - and Ag2+ -doped MgO and CaO:Cu2+ was a crucial discovery in the realm of the Jahn-Teller (JT) effect. The main reasons favoring this dynamic behavior are now clarified through ab initio calculations on Cu2+ - and Ag2+ -doped cubic oxides. Small JT distortions and an unexpected low anharmonicity of the eg JT mode are behind energy barriers smaller than 25 cm-1 derived through CASPT2 calculations for Cu2+ - and Ag2+ -doped MgO and CaO:Cu2+ . The low anharmonicity is shown to come from a strong vibrational coupling of MO610- units (M=Cu,Ag) to the host lattice. The average distance between the d9 impurity and ligands is found to vary significantly on passing from MgO to SrO following to a good extent the lattice parameter.